N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide

C27H29N3O2S — CID 117081019

IUPACN-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)cc1
InChIInChI=1S/C27H29N3O2S/c31-26(28-22-10-11-22)21-8-6-20(7-9-21)24-12-13-25(33-24)27(32)29-23-14-16-30(17-15-23)18-19-4-2-1-3-5-19/h1-9,12-13,22-23H,10-11,14-18H2,(H,28,31)(H,29,32)
InChIKeyMQZCVMZVJJZNMQ-UHFFFAOYSA-N
MW459.62 g/mol
LogP4.70
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 117081019) has the molecular formula C27H29N3O2S and a molecular weight of 459.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID117081019
Molecular FormulaC27H29N3O2S
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)cc1
InChIInChI=1S/C27H29N3O2S/c31-26(28-22-10-11-22)21-8-6-20(7-9-21)24-12-13-25(33-24)27(32)29-23-14-16-30(17-15-23)18-19-4-2-1-3-5-19/h1-9,12-13,22-23H,10-11,14-18H2,(H,28,31)(H,29,32)
InChIKeyMQZCVMZVJJZNMQ-UHFFFAOYSA-N
XLogP4.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 117079965
N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117090387
N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119628
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
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N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
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CID 26681867
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
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CID 17176526
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 117081019) is N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(NC1CC1)c1ccc(-c2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is MQZCVMZVJJZNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S/c31-26(28-22-10-11-22)21-8-6-20(7-9-21)24-12-13-25(33-24)27(32)29-23-14-16-30(17-15-23)18-19-4-2-1-3-5-19/h1-9,12-13,22-23H,10-11,14-18H2,(H,28,31)(H,29,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 459.62 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 117081019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).